BindingDB logo
myBDB logout

BDBM50266780 CHEMBL4077392

SMILES: Clc1cnc(NCc2cccnc2)nc1Nc1ccc2NC(=O)Cc2c1

InChI Key: InChIKey=MUSYPBPUEKXCSS-UHFFFAOYSA-N

Data: 3 IC50  2 Kd

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50266780   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
BCoR-BCL6


(Homo sapiens)
BDBM50266780
PNG
(CHEMBL4077392)
Show SMILES Clc1cnc(NCc2cccnc2)nc1Nc1ccc2NC(=O)Cc2c1
Show InChI InChI=1S/C18H15ClN6O/c19-14-10-22-18(21-9-11-2-1-5-20-8-11)25-17(14)23-13-3-4-15-12(6-13)7-16(26)24-15/h1-6,8,10H,7,9H2,(H,24,26)(H2,21,22,23,25)
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/a 78n/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to captured wild-type human biotinylated Avi-tagged BCL6 BTB domain (5 to 129 amino acid residues) expressed in Escherichia coli BL2...


J Med Chem 60: 4358-4368 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00313
BindingDB Entry DOI: 10.7270/Q2VM4FQW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
BCoR-BCL6


(Homo sapiens)
BDBM50266780
PNG
(CHEMBL4077392)
Show SMILES Clc1cnc(NCc2cccnc2)nc1Nc1ccc2NC(=O)Cc2c1
Show InChI InChI=1S/C18H15ClN6O/c19-14-10-22-18(21-9-11-2-1-5-20-8-11)25-17(14)23-13-3-4-15-12(6-13)7-16(26)24-15/h1-6,8,10H,7,9H2,(H,24,26)(H2,21,22,23,25)
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 8.60E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of VP16 activation domain-fused human BCOR (112 to 753 amino acid residues) binding to GAL4 DNA binding domain-fused wild-type human BCL6 ...


J Med Chem 60: 4358-4368 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00313
BindingDB Entry DOI: 10.7270/Q2VM4FQW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
BCoR-BCL6


(Homo sapiens)
BDBM50266780
PNG
(CHEMBL4077392)
Show SMILES Clc1cnc(NCc2cccnc2)nc1Nc1ccc2NC(=O)Cc2c1
Show InChI InChI=1S/C18H15ClN6O/c19-14-10-22-18(21-9-11-2-1-5-20-8-11)25-17(14)23-13-3-4-15-12(6-13)7-16(26)24-15/h1-6,8,10H,7,9H2,(H,24,26)(H2,21,22,23,25)
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition FITC-labeled BCoR peptide binding to wild type human BCL6 BTB domain (5 to 129 residues) expressed in baculovirus infected Sf9 cells after...


ACS Med Chem Lett 11: 1269-1273 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00111
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
BCoR-BCL6


(Homo sapiens)
BDBM50266780
PNG
(CHEMBL4077392)
Show SMILES Clc1cnc(NCc2cccnc2)nc1Nc1ccc2NC(=O)Cc2c1
Show InChI InChI=1S/C18H15ClN6O/c19-14-10-22-18(21-9-11-2-1-5-20-8-11)25-17(14)23-13-3-4-15-12(6-13)7-16(26)24-15/h1-6,8,10H,7,9H2,(H,24,26)(H2,21,22,23,25)
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/a 1.19E+3n/an/an/an/an/a



East China Normal University and Shanghai Fengxian District Central Hospital Joint Center for Translational Medicine

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human C-terminal GST-tagged BCL6 BTB domain C8Q/C67R/C84N triple mutant expressed in Escherichia coli BL21 (DE3) cell...


J Med Chem 63: 676-695 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01618
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
BCoR-BCL6


(Homo sapiens)
BDBM50266780
PNG
(CHEMBL4077392)
Show SMILES Clc1cnc(NCc2cccnc2)nc1Nc1ccc2NC(=O)Cc2c1
Show InChI InChI=1S/C18H15ClN6O/c19-14-10-22-18(21-9-11-2-1-5-20-8-11)25-17(14)23-13-3-4-15-12(6-13)7-16(26)24-15/h1-6,8,10H,7,9H2,(H,24,26)(H2,21,22,23,25)
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 480n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of biotinylated C-terminal BCOR (unknown origin) binding to wild-type BCL6 BTB domain (5 to 129 amino acid residues) (unknown origin) by E...


J Med Chem 60: 4358-4368 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00313
BindingDB Entry DOI: 10.7270/Q2VM4FQW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)